1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine

C13H16ClNO2 — CID 117387211

IUPAC1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)c(Cl)c2c1OC(C)C2
InChIInChI=1S/C13H16ClNO2/c1-7-5-8-11(14)9(13(15)3-4-13)6-10(16-2)12(8)17-7/h6-7H,3-5,15H2,1-2H3
InChIKeyAQTGSHYXDNLGLZ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.62
Rot. Bonds2

About 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine

1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine (PubChem CID 117387211) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
PubChem CID117387211
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)c(Cl)c2c1OC(C)C2
InChIInChI=1S/C13H16ClNO2/c1-7-5-8-11(14)9(13(15)3-4-13)6-10(16-2)12(8)17-7/h6-7H,3-5,15H2,1-2H3
InChIKeyAQTGSHYXDNLGLZ-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine with MolForge

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Related Compounds

2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117358659
5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 117450688
2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117452458
1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117478246
1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine
CID 84808221
1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784359
2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
CID 84783043
1-(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 117458829
4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol
CID 115010479
N-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 117464928
1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine
CID 84811063
1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine
CID 117402359

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine (CID 117387211) is 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine is COc1cc(C2(N)CC2)c(Cl)c2c1OC(C)C2.
What is the InChIKey of 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine?
The InChIKey is AQTGSHYXDNLGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-7-5-8-11(14)9(13(15)3-4-13)6-10(16-2)12(8)17-7/h6-7H,3-5,15H2,1-2H3.
What are the key properties of 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine?
1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine has a molecular weight of 253.73 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 117387211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).